1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione

C21H16N2O2 — CID 141258297

IUPAC1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione
SMILESNc1ccccc1C(=O)C(=O)c1ccccc1/N=C\c1ccccc1
InChIInChI=1S/C21H16N2O2/c22-18-12-6-4-10-16(18)20(24)21(25)17-11-5-7-13-19(17)23-14-15-8-2-1-3-9-15/h1-14H,22H2/b23-14-
InChIKeyCNKNKIUIIXATCZ-UCQKPKSFSA-N
MW328.37 g/mol
LogP4.09
Rot. Bonds5

About 1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione

1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione (PubChem CID 141258297) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione
PubChem CID141258297
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione
SMILESNc1ccccc1C(=O)C(=O)c1ccccc1/N=C\c1ccccc1
InChIInChI=1S/C21H16N2O2/c22-18-12-6-4-10-16(18)20(24)21(25)17-11-5-7-13-19(17)23-14-15-8-2-1-3-9-15/h1-14H,22H2/b23-14-
InChIKeyCNKNKIUIIXATCZ-UCQKPKSFSA-N
XLogP4.09
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione?
The IUPAC name of 1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione (CID 141258297) is 1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione.
What is the SMILES notation for 1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione?
The canonical SMILES for 1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione is Nc1ccccc1C(=O)C(=O)c1ccccc1/N=C\c1ccccc1.
What is the InChIKey of 1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione?
The InChIKey is CNKNKIUIIXATCZ-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H16N2O2/c22-18-12-6-4-10-16(18)20(24)21(25)17-11-5-7-13-19(17)23-14-15-8-2-1-3-9-15/h1-14H,22H2/b23-14-.
What are the key properties of 1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione?
1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione has a molecular weight of 328.37 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-[2-(benzylideneamino)phenyl]ethane-1,2-dione is sourced from PubChem (CID 141258297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).